Identifying sequence determinants of reduction potentials of metalloproteins.
Identifying sequence determinants of reduction potentials of metalloproteins.
复制标题
DOI：
10.1007/s00775-013-1004-6
复制
发表时间：
2013-08
影响因子：
3
通讯作者：
Ichiye, Toshiko
中科院分区：
文献类型：
--
作者：
Perrin, Bradley Scott, Jr.;Ichiye, Toshiko
关键词：
电子传递蛋白的还原电位是其最重要的功能特性之一。虽然氧化还原位点的类型和蛋白质折叠是氧化还原活性蛋白质的还原电位的主要决定因素，但其氨基酸序列也可以调节还原电位。因此，同源蛋白质通常可以分为不同的类别，每个类别的特征在于生物学功能和还原潜力。类间还原电位差异的序列决定簇的位点特异性诱变应将一类蛋白质的还原电位改变为另一类蛋白质的还原电位。在这里，提出了一个程序，结合了能量和生物信息学分析同源蛋白，用于确定序列决定簇，也是很好的候选人的位点特异性突变，使用[4Fe-4S]-铁氧化还原蛋白和[4Fe-4S]-HiPIP作为例子。该程序旨在指导位点特异性突变或更昂贵的计算研究，如分子动力学模拟。为了使一般科学界更容易使用该程序，它正在CHARMMing中实施，这是一个基于网络的门户网站，具有用于建立蛋白质能量学的泊松-玻尔兹曼连续静电计算的氧化还原位点的密度泛函理论结果库。
The reduction potential of an electron transfer protein is one of its most important functional characteristics. While the type of redox site and the protein fold are the major determinants of the reduction potential of a redox active protein, its amino acid sequence may tune the reduction potential as well. Thus, homologous proteins can often be divided into different classes, with each class characterized by a biological function and a reduction potential. Site-specific mutagenesis of the sequence determinants of the differences in the reduction potential between classes should change the reduction potential of a protein in one class to that of the other class. Here, a procedure is presented that combines energetic and bioinformatics analysis of homologous proteins for identifying sequence determinants that are also good candidates for site-specific mutations, using the [4Fe-4S]-ferredoxins and the [4Fe-4S]-HiPIPs as examples. This procedure is designed to guide site-specific mutations or more computationally expensive studies, such as molecular dynamics simulations. To make the procedure more accessible to the general scientific community, it is being implemented into CHARMMing, a web-based portal, with a library of density functional theory results for the redox site that used in the set up of Poisson-Boltzmann continuum electrostatics calculations for the protein energetics.
登录
查看更多内容
影响因子：
56.9
作者：
CONNOLLY, ML
通讯作者：
CONNOLLY, ML
影响因子：
4.8
作者：
Gao-Sheridan, HS;Pershad, HR;Burgess, BK
通讯作者：
Burgess, BK
影响因子：
2.9
作者：
Dauter, Z;Wilson, KS;Moulis, JM
通讯作者：
Moulis, JM
影响因子：
2.9
作者：
Boll, M;Fuchs, G;Lowe, DJ
通讯作者：
Lowe, DJ
影响因子：
2.9
作者：
HEERING, HA;BULSINK, YBM;MEYER, TE
通讯作者：
MEYER, TE